tert-butyl 4-(7-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxylate

C19H24BrN3O3 — CID 156889220

IUPACtert-butyl 4-(7-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxylate
SMILESCc1nc2cc(Br)ccc2c(=O)n1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H24BrN3O3/c1-12-21-16-11-13(20)5-6-15(16)17(24)23(12)14-7-9-22(10-8-14)18(25)26-19(2,3)4/h5-6,11,14H,7-10H2,1-4H3
InChIKeyJHOXFHAWCSVBJS-UHFFFAOYSA-N
MW422.32 g/mol
LogP4.04
Rot. Bonds1

About tert-butyl 4-(7-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxylate

tert-butyl 4-(7-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxylate (PubChem CID 156889220) has the molecular formula C19H24BrN3O3 and a molecular weight of 422.32 g/mol. Its IUPAC name is tert-butyl 4-(7-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(7-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxylate
PubChem CID156889220
Molecular FormulaC19H24BrN3O3
Molecular Weight422.32 g/mol
Exact Mass421.10
IUPAC Nametert-butyl 4-(7-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxylate
SMILESCc1nc2cc(Br)ccc2c(=O)n1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H24BrN3O3/c1-12-21-16-11-13(20)5-6-15(16)17(24)23(12)14-7-9-22(10-8-14)18(25)26-19(2,3)4/h5-6,11,14H,7-10H2,1-4H3
InChIKeyJHOXFHAWCSVBJS-UHFFFAOYSA-N
XLogP4.04
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 176901245
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tert-butyl 4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]piperidine-1-carboxylate
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CID 122529556
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CID 163381687
tert-butyl 4-[4-(6-bromonaphthalen-2-yl)pyrazol-1-yl]piperidine-1-carboxylate
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CID 91299709
tert-butyl 4-(5-bromopyrazolo[3,4-b]pyridin-1-yl)piperidine-1-carboxylate
CID 167328407
tert-butyl 4-(6-bromo-2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylate
CID 70106573
tert-butyl (3R)-3-(5-bromo-2-oxo-3H-benzimidazol-1-yl)pyrrolidine-1-carboxylate
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tert-butyl 4-(3-bromobenzoyl)piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(7-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(7-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxylate (CID 156889220) is tert-butyl 4-(7-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(7-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(7-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxylate is Cc1nc2cc(Br)ccc2c(=O)n1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(7-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxylate?
The InChIKey is JHOXFHAWCSVBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O3/c1-12-21-16-11-13(20)5-6-15(16)17(24)23(12)14-7-9-22(10-8-14)18(25)26-19(2,3)4/h5-6,11,14H,7-10H2,1-4H3.
What are the key properties of tert-butyl 4-(7-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(7-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxylate has a molecular weight of 422.32 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(7-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 156889220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).